orbital_charges     :real:2:4,5
  0.131244488481508E+001  0.986507253587596E+000  0.100618018500801E+001
  0.980723819349605E+000  0.928299727546225E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.933075078958558E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.919777297378442E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.932991753356480E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,5
  0.151831017489528E-001 -0.208034505373413E-001 -0.534548371825495E-002
 -0.111993207795876E-001 -0.269226192069427E-003 -0.444828599423903E-002
 -0.324826881341040E-001  0.429688018820658E-002 -0.761588907532301E-002
  0.141115362771938E-001 -0.128486271909743E-001  0.494008855859696E-002
  0.143765589729744E-001  0.296355826559637E-001  0.124690073843896E-001
mermin_energy       :real:0:
 -0.321826178284271E+001
end_coords          :real:2:3,5
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.207869858743682E+001
  0.213798089777377E+001  0.000000000000000E+000 -0.377945197715785E+000
 -0.106899044888689E+001  0.166257317142006E+001 -0.755890395431569E+000
 -0.880017850028995E+000 -0.185154577027795E+001 -0.755890395431569E+000
